1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea

C18H13ClF2N2O2 — CID 2805859

IUPAC1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccc(F)cc2F)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O2/c19-11-1-4-13(5-2-11)23-18(24)22-10-14-6-8-17(25-14)15-7-3-12(20)9-16(15)21/h1-9H,10H2,(H2,22,23,24)
InChIKeySDUVXDNHZBZMAV-UHFFFAOYSA-N
MW362.76 g/mol
LogP5.20
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea

1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea (PubChem CID 2805859) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea
PubChem CID2805859
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC Name1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccc(F)cc2F)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O2/c19-11-1-4-13(5-2-11)23-18(24)22-10-14-6-8-17(25-14)15-7-3-12(20)9-16(15)21/h1-9H,10H2,(H2,22,23,24)
InChIKeySDUVXDNHZBZMAV-UHFFFAOYSA-N
XLogP5.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.76
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea (CID 2805859) is 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea is O=C(NCc1ccc(-c2ccc(F)cc2F)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea?
The InChIKey is SDUVXDNHZBZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c19-11-1-4-13(5-2-11)23-18(24)22-10-14-6-8-17(25-14)15-7-3-12(20)9-16(15)21/h1-9H,10H2,(H2,22,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea?
1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea has a molecular weight of 362.76 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]urea is sourced from PubChem (CID 2805859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).